SCHEMBL29080272

SCHEMBL29080272

CC(CO)(CO)CO.OCc1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.47
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ PRKCI P41743 1/20 0.42
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ S1PR1 P21453 5/20 0.40
▸ DAO P14920 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ CFTR P13569 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL123838 0.83 TSHR (0.61) ENPP2TSHRPRSS1PRSS2PRSS3
SCHEMBL10294037 0.80 ENPP2 (0.45) ENPP2PDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL14334287 0.80 ENPP2 (0.58) ENPP2TSHRPRSS1PRSS2PRSS3
SCHEMBL2637124 0.78 PDK1 (0.44) ENPP2PDK1PDK2PDK3PDK4
SCHEMBL29092744 0.78 ENPP2 (0.44) ENPP2PDK1PDK2PDK3PDK4
SCHEMBL12561897 0.77 DAO (0.42) ENPP2PDK1PDK2PDK3PDK4
SCHEMBL2140136 0.77 SLC6A2 (0.57) ENPP2PDK1PDK2PDK3PDK4
SCHEMBL12601625 0.77 DAO (0.40) ENPP2PDK1PDK2PDK3PDK4
SCHEMBL30152263 0.76 ENPP2 (0.50) ENPP2TSHRPRSS1PRSS2PRSS3
SCHEMBL283086 0.76 ENPP2 (0.50) ENPP2TSHRPRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 — — CN disclosed
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